N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-5-bromanyl-N-(3-methylbutyl)thiophene-2-carboxamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-5-bromanyl-N-(3-methylbutyl)thiophene-2-carboxamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-5-bromo-N-isopentyl-thiophene-2-carboxamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-5-bromo-N-(3-methylbutyl)-2-thiophenecarboxamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(3-methylbutyl)thiophene-2-carboxamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-5-bromo-N-isoamyl-thiophene-2-carboxamide Formula: C21H23BrN4O3S MolecularWeight: 491.40132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC(C)CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C21H23BrN4O3S/c1-13(2)10-11-25(20(28)15-8-9-16(22)30-15)17-18(23)26(21(29)24-19(17)27)12-14-6-4-3-5-7-14/h3-9,13H,10-12,23H2,1-2H3,(H,24,27,29)